期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 22, 期 13, 页码 6797-6803出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/d0cp00896f
关键词
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资金
- Spanish MICIUN [RTI2018-095460-B-I00, RYC-2015-18996, Maria de Maeztu MDM-2017-0767]
- Generalitat de Catalunya [2017SGR13]
- XRQTC grants
- COST (European Cooperation in Science and Technology) [18234]
- 2015 ICREA Academia Award for Excellence in University Research
- Red Espanola de Supercomputacion (RES) [QS-2019-3-0018, QS-2019-2-0023, QCM-2019-1-0034]
- NWO Physical Sciences
Thermodynamic analysis of the oxygen evolution reaction (OER) hints toward an intrinsic overpotential caused by the nonoptimal adsorption-energy scaling relation between OH and OOH. Consequently, nowadays it is a widely accepted yet unverified rule of thumb that breaking such a scaling relation results in enhanced catalytic activity. In this perspective, we show that breaking the OH-OOH scaling relation does not per se lower the OER overpotential. Instead, electrocatalytic symmetry and ease of optimization are shown to be key factors when screening for enhanced OER catalysts. The essence of electrocatalytic symmetry is captured by a descriptor called the electrochemical-step symmetry index (ESSI). In turn, the ease of optimization and whether it should be scaling-based or scaling-free is provided by a procedure called delta-epsilon optimization. Finally, taking the search for bifunctional catalysts for oxygen electrocatalysis as an example, we show that the alternative analysis can be straightforwardly extended to other electrocatalytic reactions.
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